1,4-Pentanedione, 1-(2-naphthalenyl)-
Basic information
- CAS
123183-98-2- Standard SMILES
CC(=O)CCC(=O)c1ccc2ccccc2c1- InChIKey
LDLFCZYWHIIMJZ-UHFFFAOYSA-N- Molecular formula
- C15H14O2
- Average molar mass
- 226.27 g/mol
- Monoisotopic mass
- 226.09937969
Names & identifiers
- Preferred name
- 1,4-Pentanedione, 1-(2-naphthalenyl)-
- IUPAC
- 1-naphthalen-2-ylpentane-1,4-dione
Names & synonyms
1,4-Pentanedione, 1-(2-naphthalenyl)-123183-98-21-(2-naphthyl)-1,4-pentanedione1-naphthalen-2-ylpentane-1,4-dione1-(NAPHTHALEN-2-YL)PENTANE-1,4-DIONEMLS000698376SCHEMBL8536512CHEMBL1518900DTXSID70356541HMS2518G08SMR000224782AE-562/12222425
Database identifiers
- CAS
123183-98-2- PubChem CID
- 825941
- DTXSID
DTXSID70356541- ChEMBL
CHEMBL1518900- Nikkaji
- J1.322.571K
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 295
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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